![1-Azabicyclo[2.2.2]octan-3-one, 2-(2-furanylmethyl)- structure](/static/products/1118/111896-97-0.webp)
1-Azabicyclo[2.2.2]octan-3-one, 2-(2-furanylmethyl)-
TL;DR: 1-Azabicyclo[2.2.2]octan-3-one, 2-(2-furanylmethyl)- (CAS 111896-97-0) is a chemical compound with molecular formula C12H15NO2 and molecular weight 205.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(furan-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-one
Also Known As: 2-(Furyl-2-methyl)-3-oxoquinuclidine, 2-(2-furylmethyl)quinuclidin-3-one, 1-Azabicyclo[2.2.2]octan-3-one, 2-(2-furanylmethyl)-, 2-(furan-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-one, 7-(2-furylmethyl)-1-azabicyclo[2.2.2]octan-8-one
| Molecular Formula | C12H15NO2 |
|---|---|
| Molecular Weight | 205.11 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 33.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.11028 |
| Heavy Atoms | 15 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 111896-97-0 |
|---|---|
| SMILES | C1CN2CCC1C(=O)C2CC3=CC=CO3 |
| InChIKey | OWZARUDERRFQPK-UHFFFAOYSA-N |
Product Overview
1-Azabicyclo[2.2.2]octan-3-one, 2-(2-furanylmethyl)- (CAS 111896-97-0), with molecular formula C12H15NO2 and molecular weight 205.11 g/mol. IUPAC: 2-(furan-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-one.
Chemical Property Profile of 1-Azabicyclo[2.2.2]octan-3-one, 2-(2-furanylmethyl)-
Property Insights of 1-Azabicyclo[2.2.2]octan-3-one, 2-(2-furanylmethyl)-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Azabicyclo[2.2.2]octan-3-one, 2-(2-furanylmethyl)-. With a topological polar surface area (TPSA) of 33.5 Ų, 1-Azabicyclo[2.2.2]octan-3-one, 2-(2-furanylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Azabicyclo[2.2.2]octan-3-one, 2-(2-furanylmethyl)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Azabicyclo[2.2.2]octan-3-one, 2-(2-furanylmethyl)-?
The CAS number of 1-Azabicyclo[2.2.2]octan-3-one, 2-(2-furanylmethyl)- is 111896-97-0.
What is the molecular formula of 1-Azabicyclo[2.2.2]octan-3-one, 2-(2-furanylmethyl)-?
The molecular formula of 1-Azabicyclo[2.2.2]octan-3-one, 2-(2-furanylmethyl)- is C12H15NO2.
What is the molecular weight of 1-Azabicyclo[2.2.2]octan-3-one, 2-(2-furanylmethyl)-?
The molecular weight of 1-Azabicyclo[2.2.2]octan-3-one, 2-(2-furanylmethyl)- is 205.11 g/mol.
Where can I buy 1-Azabicyclo[2.2.2]octan-3-one, 2-(2-furanylmethyl)-?
You can request a quote for 1-Azabicyclo[2.2.2]octan-3-one, 2-(2-furanylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Azabicyclo[2.2.2]octan-3-one, 2-(2-furanylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Azabicyclo[2.2.2]octan-3-one, 2-(2-furanylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.